SCHEMBL2822684

SCHEMBL2822684

CN1CCN(CCn2c[c]nc2C(N)=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.37
PARP2 Q9UGN5 1/20 0.37
PARP3 Q9Y6F1 1/20 0.37
TSHR P16473 1/20 0.35
SIRT2 Q8IXJ6 2/20 0.35
SIRT1 Q96EB6 2/20 0.35
SIRT3 Q9NTG7 2/20 0.35
CNR1 P21554 1/20 0.35
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
PAOX Q6QHF9 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CHEK1 O14757 1/20 0.33
TP53 P04637 1/20 0.33
IKBKE Q14164 1/20 0.32
TBK1 Q9UHD2 1/20 0.32
ALDH1A1 P00352 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2822226 0.86 KDM4E (0.40) PARP1PARP2PARP3ALDH1A1LMNA
SCHEMBL2968306 0.78 HTR7 (0.53) PARP1PARP2HDAC2HDAC8
SCHEMBL2819999 0.77 PIM3 (0.31)
SCHEMBL2977065 0.77 SMN1; SMN2 (0.36) SMN1; SMN2
SCHEMBL2970643 0.76 HRH3 (0.43) LMNA
SCHEMBL2982332 0.76 TRPA1 (0.35)
SCHEMBL2821078 0.76 HTT (0.33) PARP1PARP2PARP3TSHRCHEK1
SCHEMBL2970699 0.76 HTR7 (0.39)
SCHEMBL2979782 0.76 HTR7 (0.39)
SCHEMBL2971347 0.75 HTR7 (0.43) ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730119-B1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-06-25 EP claimed
US-7342118-B2 Imidazole compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2008-03-11 US claimed
EP-1730119-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Incorporated (US) 2006-12-13 EP claimed
WO-2005092864-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2005-10-06 WO claimed
US-7795447-B2 4-(Acylaminoacetylamino)imidazole derivatives, e.g., methyl 3-(4-{2-[2-(3,5-Difluorophenyl)acetylamino]pentanoylamino}imidazol-1-yl)butyrate; treating neurodegenerative and/or neurological disorders such as Alzheimer's disease and Down's Syndrome PFIZER INC (US) 2010-09-14 US disclosed
US-20100168107-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC (US) 2010-07-01 US disclosed
US-20080227781-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER INC. 2008-09-18 US disclosed
EP-1730119-B1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-06-25 EP disclosed
US-7342118-B2 Imidazole compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2008-03-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100168107-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, PSEN1, PSEN2 PARP1 2110/4885PARP2 3860/4885PARP3 2856/4885
US-20080227781-A1 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS APP, PSEN1, PSEN2 PARP1 2110/4885PARP2 3860/4885PARP3 2856/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.